SCHEMBL7408142

SCHEMBL7408142

Cc1ccc(COC(=O)c2ccc3c4c([nH]c3c2)CCC(N(C)C)C4)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 2/20 0.40
RAD52 P43351 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7406362 0.88 KMT2A (0.54) HTR1FKMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL7406750 0.87 KMT2A (0.53) HTR1FKMT2AMEN1NPC1RAB9A
SCHEMBL7412348 0.83 HTR1F (0.56) HTR1FKMT2AMEN1NPC1RAB9A
SCHEMBL7409636 0.80 KMT2A (0.65) HTR1FKMT2AMEN1NPC1RAB9A
SCHEMBL7415699 0.79 KMT2A (0.58) HTR1FKMT2AMEN1NPC1RAB9A
SCHEMBL7407453 0.78 HTR1F (0.48) HTR1FL3MBTL1HTR1B
SCHEMBL7411494 0.77 HTR1F (0.41) HTR1FKMT2AMEN1NPC1RAB9A
SCHEMBL7417204 0.76 HTR1F (0.49) HTR1FKMT2AMEN1NPC1RAB9A
SCHEMBL7413184 0.76 HTR1F (0.54) HTR1FKMT2AMEN1NPC1RAB9A
Benzil SCHEMBL11334399 0.75 MCHR1 (0.46) HTR1F

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed